SCHEMBL7914652

SCHEMBL7914652

CC1=CN2C=C(Cc3ccc(NC(=O)O)nc3)C=C(c3cccc(Cl)c3)C2N1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK3 O43781 2/20 0.37
DYRK1A Q13627 2/20 0.37
DYRK2 Q92630 2/20 0.37
DYRK1B Q9Y463 2/20 0.37
ALDH1A1 P00352 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
PDCD1 Q15116 5/20 0.34
CD274 Q9NZQ7 5/20 0.34
CCNT1 O60563 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CDK9 P50750 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
ADAM17 P78536 1/20 0.33
MMEL1 Q495T6 1/20 0.33
TP53 P04637 1/20 0.33
GRM5 P41594 1/20 0.33
HDAC1 Q13547 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7913078 0.92 DYRK3 (0.37) DYRK3DYRK1ADYRK2DYRK1B
SCHEMBL7929296 0.91 DYRK3 (0.49) DYRK3DYRK1ADYRK2DYRK1BALDH1A1
SCHEMBL7917981 0.91 DYRK3 (0.35) DYRK3DYRK1ADYRK2DYRK1BALDH1A1
SCHEMBL7902852 0.87 NPC1 (0.34) DYRK3DYRK1ADYRK2DYRK1BKMT2A
SCHEMBL7912990 0.86 PARP1 (0.37) DYRK3DYRK1ADYRK2DYRK1BALDH1A1
SCHEMBL7902988 0.84 GRIN1 (0.32) RAB9A
SCHEMBL7915334 0.84 DHFR (0.32) RAB9A
SCHEMBL7902845 0.83 PIM1 (0.31)
SCHEMBL7916997 0.81 JAK2 (0.35) DYRK3DYRK1ADYRK2DYRK1BALDH1A1
SCHEMBL7915330 0.79 MEN1 (0.36) MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010059838-A2 PDE4 INHIBITORS SELECTIVE FOR THE LONG FORM OF PDE4 FOR TREATING INFLAMMATION AND AVOIDING SIDE EFFECTS DECODE GENETICS EHF (IS) 2010-05-27 WO disclosed